2-(3-acetylphenoxy)-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]acetamide

C18H25NO3 — CID 11917453

IUPAC2-(3-acetylphenoxy)-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]acetamide
SMILESCC(=O)c1cccc(OCC(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)c1
InChIInChI=1S/C18H25NO3/c1-12-6-4-9-17(13(12)2)19-18(21)11-22-16-8-5-7-15(10-16)14(3)20/h5,7-8,10,12-13,17H,4,6,9,11H2,1-3H3,(H,19,21)/t12-,13+,17+/m0/s1
InChIKeyRNCRZPMBDPMOMH-OGHNNQOOSA-N
MW303.40 g/mol
LogP3.21
Rot. Bonds5

About 2-(3-acetylphenoxy)-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]acetamide

2-(3-acetylphenoxy)-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]acetamide (PubChem CID 11917453) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is 2-(3-acetylphenoxy)-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]acetamide.

Molecular Properties

Compound Name2-(3-acetylphenoxy)-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]acetamide
PubChem CID11917453
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC Name2-(3-acetylphenoxy)-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]acetamide
SMILESCC(=O)c1cccc(OCC(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)c1
InChIInChI=1S/C18H25NO3/c1-12-6-4-9-17(13(12)2)19-18(21)11-22-16-8-5-7-15(10-16)14(3)20/h5,7-8,10,12-13,17H,4,6,9,11H2,1-3H3,(H,19,21)/t12-,13+,17+/m0/s1
InChIKeyRNCRZPMBDPMOMH-OGHNNQOOSA-N
XLogP3.21
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-(3-methylphenoxy)acetamide
CID 11920025
2-(3-acetylphenoxy)-N-cyclohexylacetamide
CID 2708999
[2-[[(1S,2S,3S)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 2-(3-methylphenoxy)acetate
CID 6597337
[2-[[(1R,2S,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 2-(3-methylphenoxy)acetate
CID 11904739
[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 2-(3-bromophenoxy)acetate
CID 42962813
N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-2-(3,5-dimethylphenoxy)acetamide
CID 11919770
2-(3-aminophenoxy)-N-(2-methylcyclopentyl)acetamide
CID 63277444
N-(2,3-dimethylcyclohexyl)-2-(2,6-dimethylphenoxy)acetamide
CID 42989465
2-(3,5-dichlorophenoxy)-N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]acetamide
CID 11906049
2-(4-chloro-3-methylphenoxy)-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]acetamide
CID 11916036
2-(3-chloro-4-fluorophenoxy)-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]acetamide
CID 11914731
1-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-3-[[2-(3-methylphenoxy)acetyl]amino]thiourea
CID 11946465

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetylphenoxy)-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]acetamide?
The IUPAC name of 2-(3-acetylphenoxy)-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]acetamide (CID 11917453) is 2-(3-acetylphenoxy)-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]acetamide.
What is the SMILES notation for 2-(3-acetylphenoxy)-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]acetamide?
The canonical SMILES for 2-(3-acetylphenoxy)-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]acetamide is CC(=O)c1cccc(OCC(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)c1.
What is the InChIKey of 2-(3-acetylphenoxy)-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]acetamide?
The InChIKey is RNCRZPMBDPMOMH-OGHNNQOOSA-N. The full InChI is InChI=1S/C18H25NO3/c1-12-6-4-9-17(13(12)2)19-18(21)11-22-16-8-5-7-15(10-16)14(3)20/h5,7-8,10,12-13,17H,4,6,9,11H2,1-3H3,(H,19,21)/t12-,13+,17+/m0/s1.
What are the key properties of 2-(3-acetylphenoxy)-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]acetamide?
2-(3-acetylphenoxy)-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]acetamide has a molecular weight of 303.40 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetylphenoxy)-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]acetamide is sourced from PubChem (CID 11917453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).